N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide

C21H23ClN4O — CID 142442380

IUPACN-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide
SMILESNCC(Cc1ccccc1)NC(=O)CCc1cn(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C21H23ClN4O/c22-17-7-4-8-20(12-17)26-14-18(24-15-26)9-10-21(27)25-19(13-23)11-16-5-2-1-3-6-16/h1-8,12,14-15,19H,9-11,13,23H2,(H,25,27)
InChIKeyVVVYLSYRZTXVCD-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.14
Rot. Bonds8

About N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide

N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide (PubChem CID 142442380) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide
PubChem CID142442380
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide
SMILESNCC(Cc1ccccc1)NC(=O)CCc1cn(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C21H23ClN4O/c22-17-7-4-8-20(12-17)26-14-18(24-15-26)9-10-21(27)25-19(13-23)11-16-5-2-1-3-6-16/h1-8,12,14-15,19H,9-11,13,23H2,(H,25,27)
InChIKeyVVVYLSYRZTXVCD-UHFFFAOYSA-N
XLogP3.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-1-(3-chlorophenyl)imidazole
CID 130482648
methyl (2S)-2-[3-[1-[3-[4-[3-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]triazol-1-yl]phenyl]triazol-4-yl]propanoylamino]-3-phenylpropanoate
CID 102497971
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide
CID 91639924
4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027344
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
[1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate
CID 67599748
methane;methyl (2S)-2-amino-3-(1-phenylimidazol-4-yl)propanoate
CID 160550558
2-(3-aminopropanoylamino)-3-(1-chloroimidazol-4-yl)propanoic acid
CID 68621436
4-[3-(5-chlorothiophen-2-yl)propanoylamino]-5-phenylpentanoic acid
CID 120546600
methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate
CID 174524375
1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide
CID 146154715
N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 25051158

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide (CID 142442380) is N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide is NCC(Cc1ccccc1)NC(=O)CCc1cn(-c2cccc(Cl)c2)cn1.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide?
The InChIKey is VVVYLSYRZTXVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c22-17-7-4-8-20(12-17)26-14-18(24-15-26)9-10-21(27)25-19(13-23)11-16-5-2-1-3-6-16/h1-8,12,14-15,19H,9-11,13,23H2,(H,25,27).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide?
N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide has a molecular weight of 382.90 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide is sourced from PubChem (CID 142442380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).