2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide

C18H17F2N7O2 — CID 10069617

IUPAC2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)Nc2cc(F)cc(F)c2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C18H17F2N7O2/c1-27(2)16(28)6-10-3-4-15(14(5-10)17-23-25-26-24-17)22-18(29)21-13-8-11(19)7-12(20)9-13/h3-5,7-9H,6H2,1-2H3,(H2,21,22,29)(H,23,24,25,26)
InChIKeyZOCBFXYBYRFJHO-UHFFFAOYSA-N
MW401.38 g/mol
LogP2.42
Rot. Bonds5

About 2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide

2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide (PubChem CID 10069617) has the molecular formula C18H17F2N7O2 and a molecular weight of 401.38 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide
PubChem CID10069617
Molecular FormulaC18H17F2N7O2
Molecular Weight401.38 g/mol
Exact Mass401.14
IUPAC Name2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)Nc2cc(F)cc(F)c2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C18H17F2N7O2/c1-27(2)16(28)6-10-3-4-15(14(5-10)17-23-25-26-24-17)22-18(29)21-13-8-11(19)7-12(20)9-13/h3-5,7-9H,6H2,1-2H3,(H2,21,22,29)(H,23,24,25,26)
InChIKeyZOCBFXYBYRFJHO-UHFFFAOYSA-N
XLogP2.42
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
CID 11189524
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide
CID 67043382
3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide
CID 10478021
4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide
CID 69451323
1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
CID 10452652
4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 11619480
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide
CID 10389868
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)phenyl]urea
CID 11168394
1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 11177530
1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 10407640
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
4-[4-[(4-methoxyphenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 11853644

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide (CID 10069617) is 2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(NC(=O)Nc2cc(F)cc(F)c2)c(-c2nn[nH]n2)c1.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide?
The InChIKey is ZOCBFXYBYRFJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O2/c1-27(2)16(28)6-10-3-4-15(14(5-10)17-23-25-26-24-17)22-18(29)21-13-8-11(19)7-12(20)9-13/h3-5,7-9H,6H2,1-2H3,(H2,21,22,29)(H,23,24,25,26).
What are the key properties of 2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide?
2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide has a molecular weight of 401.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 10069617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).