3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide

C20H19ClF3N7O2 — CID 67043382

IUPAC3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C20H19ClF3N7O2/c1-31(2)17(32)8-4-11-3-7-16(13(9-11)18-27-29-30-28-18)26-19(33)25-12-5-6-15(21)14(10-12)20(22,23)24/h3,5-7,9-10H,4,8H2,1-2H3,(H2,25,26,33)(H,27,28,29,30)
InChIKeyRALWXGMRFSUKKJ-UHFFFAOYSA-N
MW481.87 g/mol
LogP4.20
Rot. Bonds6

About 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide

3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide (PubChem CID 67043382) has the molecular formula C20H19ClF3N7O2 and a molecular weight of 481.87 g/mol. Its IUPAC name is 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide
PubChem CID67043382
Molecular FormulaC20H19ClF3N7O2
Molecular Weight481.87 g/mol
Exact Mass481.12
IUPAC Name3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C20H19ClF3N7O2/c1-31(2)17(32)8-4-11-3-7-16(13(9-11)18-27-29-30-28-18)26-19(33)25-12-5-6-15(21)14(10-12)20(22,23)24/h3,5-7,9-10H,4,8H2,1-2H3,(H2,25,26,33)(H,27,28,29,30)
InChIKeyRALWXGMRFSUKKJ-UHFFFAOYSA-N
XLogP4.20
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.87
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide
CID 10389868
1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 11177530
2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide
CID 10069617
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[4-(piperidine-1-carbonyl)phenyl]-3-(2H-tetrazol-5-yl)phenyl]urea
CID 10460651
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpropanamide
CID 90676450
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 127573768
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide
CID 67161060
1-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 91966399
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-hydroxyphenyl)urea
CID 53465158
1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 98000868

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide (CID 67043382) is 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(-c2nn[nH]n2)c1.
What is the InChIKey of 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide?
The InChIKey is RALWXGMRFSUKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N7O2/c1-31(2)17(32)8-4-11-3-7-16(13(9-11)18-27-29-30-28-18)26-19(33)25-12-5-6-15(21)14(10-12)20(22,23)24/h3,5-7,9-10H,4,8H2,1-2H3,(H2,25,26,33)(H,27,28,29,30).
What are the key properties of 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide?
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide has a molecular weight of 481.87 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 67043382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).