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

C19H23ClN2O — CID 119139033

IUPACN-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide
SMILESCCC(NC(C)c1cccc(NC(C)=O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-4-19(15-8-10-17(20)11-9-15)21-13(2)16-6-5-7-18(12-16)22-14(3)23/h5-13,19,21H,4H2,1-3H3,(H,22,23)
InChIKeyJRYZCGFAKSDXRN-UHFFFAOYSA-N
MW330.86 g/mol
LogP5.10
Rot. Bonds6

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

N-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide (PubChem CID 119139033) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide
PubChem CID119139033
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide
SMILESCCC(NC(C)c1cccc(NC(C)=O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-4-19(15-8-10-17(20)11-9-15)21-13(2)16-6-5-7-18(12-16)22-14(3)23/h5-13,19,21H,4H2,1-3H3,(H,22,23)
InChIKeyJRYZCGFAKSDXRN-UHFFFAOYSA-N
XLogP5.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.86
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(4-chlorophenyl)propylamino]phenyl]acetamide
CID 43095855
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide
CID 119164758
N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 43673292
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
N-[3-[1-(1-cyclopropylpropylamino)ethyl]phenyl]acetamide
CID 64917961
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide
CID 43206504
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide (CID 119139033) is N-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide is CCC(NC(C)c1cccc(NC(C)=O)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide?
The InChIKey is JRYZCGFAKSDXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-4-19(15-8-10-17(20)11-9-15)21-13(2)16-6-5-7-18(12-16)22-14(3)23/h5-13,19,21H,4H2,1-3H3,(H,22,23).
What are the key properties of N-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide?
N-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide has a molecular weight of 330.86 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-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 119139033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).