N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide

C24H25ClN2O — CID 84568214

IUPACN-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C24H25ClN2O/c1-17-15-20(25)9-12-23(17)26-24(28)13-14-27(21-10-11-21)16-19-7-4-6-18-5-2-3-8-22(18)19/h2-9,12,15,21H,10-11,13-14,16H2,1H3,(H,26,28)
InChIKeyORKSQNWCMFAHPZ-UHFFFAOYSA-N
MW392.93 g/mol
LogP5.79
Rot. Bonds7

About N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide

N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide (PubChem CID 84568214) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
PubChem CID84568214
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC NameN-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C24H25ClN2O/c1-17-15-20(25)9-12-23(17)26-24(28)13-14-27(21-10-11-21)16-19-7-4-6-18-5-2-3-8-22(18)19/h2-9,12,15,21H,10-11,13-14,16H2,1H3,(H,26,28)
InChIKeyORKSQNWCMFAHPZ-UHFFFAOYSA-N
XLogP5.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 84568226
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568221
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 84569096
N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568594
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 84565003
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 84565012
5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid
CID 84568655
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136363
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 84568615
N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84567191
ethyl 2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-methylthiophene-3-carboxylate
CID 84565010

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide (CID 84568214) is N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide is Cc1cc(Cl)ccc1NC(=O)CCN(Cc1cccc2ccccc12)C1CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
The InChIKey is ORKSQNWCMFAHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O/c1-17-15-20(25)9-12-23(17)26-24(28)13-14-27(21-10-11-21)16-19-7-4-6-18-5-2-3-8-22(18)19/h2-9,12,15,21H,10-11,13-14,16H2,1H3,(H,26,28).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide has a molecular weight of 392.93 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide is sourced from PubChem (CID 84568214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).