N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide

C20H21Cl2NO — CID 6990705

IUPACN-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c(Cl)cc1Cl
InChIInChI=1S/C20H21Cl2NO/c1-13-10-17(19(22)11-18(13)21)20(24)23(14(2)16-8-9-16)12-15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12H2,1-2H3/t14-/m0/s1
InChIKeyYFOQQGPVQCOXPU-AWEZNQCLSA-N
MW362.30 g/mol
LogP5.74
Rot. Bonds5

About N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide

N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide (PubChem CID 6990705) has the molecular formula C20H21Cl2NO and a molecular weight of 362.30 g/mol. Its IUPAC name is N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
PubChem CID6990705
Molecular FormulaC20H21Cl2NO
Molecular Weight362.30 g/mol
Exact Mass361.10
IUPAC NameN-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c(Cl)cc1Cl
InChIInChI=1S/C20H21Cl2NO/c1-13-10-17(19(22)11-18(13)21)20(24)23(14(2)16-8-9-16)12-15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12H2,1-2H3/t14-/m0/s1
InChIKeyYFOQQGPVQCOXPU-AWEZNQCLSA-N
XLogP5.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide 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

N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816
1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea
CID 550184
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
CID 60948375
N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 75854481
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide
CID 65229552
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 31996292
2-amino-N-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]acetamide
CID 60939851
4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide
CID 63104123
N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide
CID 55558311

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide?
The IUPAC name of N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide (CID 6990705) is N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide.
What is the SMILES notation for N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide?
The canonical SMILES for N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide is Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c(Cl)cc1Cl.
What is the InChIKey of N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide?
The InChIKey is YFOQQGPVQCOXPU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21Cl2NO/c1-13-10-17(19(22)11-18(13)21)20(24)23(14(2)16-8-9-16)12-15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide?
N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide has a molecular weight of 362.30 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide is sourced from PubChem (CID 6990705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).