1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea

C17H16Cl2N6O — CID 52597487

IUPAC1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1-n1cnnn1
InChIInChI=1S/C17H16Cl2N6O/c1-10-3-5-13(8-16(10)25-9-20-23-24-25)22-17(26)21-11(2)14-6-4-12(18)7-15(14)19/h3-9,11H,1-2H3,(H2,21,22,26)/t11-/m1/s1
InChIKeyMPHUMGJJFATTEW-LLVKDONJSA-N
MW391.26 g/mol
LogP4.16
Rot. Bonds4

About 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea

1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea (PubChem CID 52597487) has the molecular formula C17H16Cl2N6O and a molecular weight of 391.26 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
PubChem CID52597487
Molecular FormulaC17H16Cl2N6O
Molecular Weight391.26 g/mol
Exact Mass390.08
IUPAC Name1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1-n1cnnn1
InChIInChI=1S/C17H16Cl2N6O/c1-10-3-5-13(8-16(10)25-9-20-23-24-25)22-17(26)21-11(2)14-6-4-12(18)7-15(14)19/h3-9,11H,1-2H3,(H2,21,22,26)/t11-/m1/s1
InChIKeyMPHUMGJJFATTEW-LLVKDONJSA-N
XLogP4.16
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 52597486
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 46547369
1-(5-chloro-2-methylphenyl)tetrazole
CID 11586443
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 75400122
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 52582743
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2,2-diphenylacetamide
CID 39226018
1-[1-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053166
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride
CID 119287688
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea (CID 52597487) is 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea is Cc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1-n1cnnn1.
What is the InChIKey of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The InChIKey is MPHUMGJJFATTEW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16Cl2N6O/c1-10-3-5-13(8-16(10)25-9-20-23-24-25)22-17(26)21-11(2)14-6-4-12(18)7-15(14)19/h3-9,11H,1-2H3,(H2,21,22,26)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea has a molecular weight of 391.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 52597487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).