N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide

C19H21ClN2O2 — CID 24600791

IUPACN-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide
SMILESCCC(NC(=O)CCNC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-17(14-8-10-16(20)11-9-14)22-18(23)12-13-21-19(24)15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyFZDHTPIMRDXJHC-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.73
Rot. Bonds7

About N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide

N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide (PubChem CID 24600791) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide
PubChem CID24600791
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide
SMILESCCC(NC(=O)CCNC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-17(14-8-10-16(20)11-9-14)22-18(23)12-13-21-19(24)15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyFZDHTPIMRDXJHC-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 41490453
N-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 17450177
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51317758
4-chloro-N-[4-[[2-(dimethylamino)-1-phenylethyl]amino]-4-oxobutyl]benzamide
CID 86909670
5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
CID 107908718
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 55582086
3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 112684495
N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134036301

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide (CID 24600791) is N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide is CCC(NC(=O)CCNC(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide?
The InChIKey is FZDHTPIMRDXJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-2-17(14-8-10-16(20)11-9-14)22-18(23)12-13-21-19(24)15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide?
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide has a molecular weight of 344.84 g/mol, XLogP of 3.73, 7 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)propylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24600791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).