N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide

C19H21ClN2O2 — CID 134036301

IUPACN-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCC(NC(=O)CCNC(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14(16-7-9-17(20)10-8-16)22-18(23)11-12-21-19(24)13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyRJRYZPUZZGXHLI-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.27
Rot. Bonds7

About N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide

N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 134036301) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
PubChem CID134036301
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCC(NC(=O)CCNC(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14(16-7-9-17(20)10-8-16)22-18(23)11-12-21-19(24)13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyRJRYZPUZZGXHLI-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 30826333
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
CID 55509058
N-[1-(2,4-dichlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51311614
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
CID 81354657
3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide
CID 42698521
N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51314573
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 41236910
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805573

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide (CID 134036301) is N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide is CC(NC(=O)CCNC(=O)Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is RJRYZPUZZGXHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14(16-7-9-17(20)10-8-16)22-18(23)11-12-21-19(24)13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide?
N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 344.84 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 134036301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).