N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide

C20H23ClN2O — CID 119164758

IUPACN-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C20H23ClN2O/c1-13(17-4-3-5-19(12-17)23-14(2)24)22-20(15-6-7-15)16-8-10-18(21)11-9-16/h3-5,8-13,15,20,22H,6-7H2,1-2H3,(H,23,24)
InChIKeyRQCSRKRPGBTRPW-UHFFFAOYSA-N
MW342.87 g/mol
LogP5.10
Rot. Bonds6

About N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide

N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide (PubChem CID 119164758) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide
PubChem CID119164758
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C20H23ClN2O/c1-13(17-4-3-5-19(12-17)23-14(2)24)22-20(15-6-7-15)16-8-10-18(21)11-9-16/h3-5,8-13,15,20,22H,6-7H2,1-2H3,(H,23,24)
InChIKeyRQCSRKRPGBTRPW-UHFFFAOYSA-N
XLogP5.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.87
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide
CID 119139033
(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81382422
N-[3-[1-(1-cyclopropylpropylamino)ethyl]phenyl]acetamide
CID 64917961
N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
CID 81386672
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 43206478
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904
2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 78806157

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide (CID 119164758) is N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NC(c2ccc(Cl)cc2)C2CC2)c1.
What is the InChIKey of N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide?
The InChIKey is RQCSRKRPGBTRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-13(17-4-3-5-19(12-17)23-14(2)24)22-20(15-6-7-15)16-8-10-18(21)11-9-16/h3-5,8-13,15,20,22H,6-7H2,1-2H3,(H,23,24).
What are the key properties of N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide?
N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide has a molecular weight of 342.87 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 119164758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).