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

C18H17Cl2N7O2 — CID 10478021

IUPAC3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C18H17Cl2N7O2/c1-21-16(28)5-3-10-2-4-15(14(6-10)17-24-26-27-25-17)23-18(29)22-13-8-11(19)7-12(20)9-13/h2,4,6-9H,3,5H2,1H3,(H,21,28)(H2,22,23,29)(H,24,25,26,27)
InChIKeyUMYDWGUZJPFLGT-UHFFFAOYSA-N
MW434.29 g/mol
LogP3.50
Rot. Bonds6

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

3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide (PubChem CID 10478021) has the molecular formula C18H17Cl2N7O2 and a molecular weight of 434.29 g/mol. Its IUPAC name is 3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide
PubChem CID10478021
Molecular FormulaC18H17Cl2N7O2
Molecular Weight434.29 g/mol
Exact Mass433.08
IUPAC Name3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C18H17Cl2N7O2/c1-21-16(28)5-3-10-2-4-15(14(6-10)17-24-26-27-25-17)23-18(29)22-13-8-11(19)7-12(20)9-13/h2,4,6-9H,3,5H2,1H3,(H,21,28)(H2,22,23,29)(H,24,25,26,27)
InChIKeyUMYDWGUZJPFLGT-UHFFFAOYSA-N
XLogP3.50
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 53.50
H-Bond Donors ≤ 54
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-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 10407640
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide
CID 67043382
1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
CID 11189524
2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide
CID 10069617
3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide
CID 54780838
1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 11177530
1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
CID 10452652
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)phenyl]urea
CID 11168394
1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea
CID 10071086
1-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-3-(2,4-dichlorophenyl)urea
CID 162468387
4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 11619480

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide?
The IUPAC name of 3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide (CID 10478021) is 3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide?
The canonical SMILES for 3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide is CNC(=O)CCc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2nn[nH]n2)c1.
What is the InChIKey of 3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide?
The InChIKey is UMYDWGUZJPFLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N7O2/c1-21-16(28)5-3-10-2-4-15(14(6-10)17-24-26-27-25-17)23-18(29)22-13-8-11(19)7-12(20)9-13/h2,4,6-9H,3,5H2,1H3,(H,21,28)(H2,22,23,29)(H,24,25,26,27).
What are the key properties of 3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide?
3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide has a molecular weight of 434.29 g/mol, XLogP of 3.50, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide is sourced from PubChem (CID 10478021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).