N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide

C19H21ClN2O — CID 112806311

IUPACN-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(c1ccccc1)C1CC1
InChIInChI=1S/C19H21ClN2O/c1-13-16(20)8-5-9-17(13)22-18(23)12-21-19(15-10-11-15)14-6-3-2-4-7-14/h2-9,15,19,21H,10-12H2,1H3,(H,22,23)
InChIKeyCFQMNFRUUMVEPF-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.33
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide

N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide (PubChem CID 112806311) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide
PubChem CID112806311
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(c1ccccc1)C1CC1
InChIInChI=1S/C19H21ClN2O/c1-13-16(20)8-5-9-17(13)22-18(23)12-21-19(15-10-11-15)14-6-3-2-4-7-14/h2-9,15,19,21H,10-12H2,1H3,(H,22,23)
InChIKeyCFQMNFRUUMVEPF-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
CID 60712191
N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
CID 3434978
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43466013
3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 17401242
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 9031965
2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62709327
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
CID 112804532
2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 55430532
N-(2,3-dichlorophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131743
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide (CID 112806311) is N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide is Cc1c(Cl)cccc1NC(=O)CNC(c1ccccc1)C1CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide?
The InChIKey is CFQMNFRUUMVEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13-16(20)8-5-9-17(13)22-18(23)12-21-19(15-10-11-15)14-6-3-2-4-7-14/h2-9,15,19,21H,10-12H2,1H3,(H,22,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide has a molecular weight of 328.84 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide is sourced from PubChem (CID 112806311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).