2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide

C21H20ClN3O3 — CID 23645839

IUPAC2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H20ClN3O3/c1-14(20(26)24-28)25(13-16-8-3-5-11-18(16)22)21(27)23-19-12-6-9-15-7-2-4-10-17(15)19/h2-12,14,28H,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyYWTHXFCZXONJKT-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.42
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide (PubChem CID 23645839) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide
PubChem CID23645839
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H20ClN3O3/c1-14(20(26)24-28)25(13-16-8-3-5-11-18(16)22)21(27)23-19-12-6-9-15-7-2-4-10-17(15)19/h2-12,14,28H,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyYWTHXFCZXONJKT-UHFFFAOYSA-N
XLogP4.42
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-{[(2-chlorophenyl)methyl][(4-fluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645834
2-{[(2-chlorophenyl)methyl][(2,4-difluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645837
(2S)-N-hydroxy-4-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide
CID 71462985
2-{[(3-chlorophenyl)carbamoyl][(2-chlorophenyl)methyl]amino}-N-hydroxypropanamide
CID 23645835
2-{[(4-chlorophenyl)carbamoyl][(2-chlorophenyl)methyl]amino}-N-hydroxypropanamide
CID 23645836
N-Hydroxy-2-[3-naphthalen-1-yl-1-(2-nitro-benzyl)-ureido]-propionamide
CID 44312013
1-[1-[(2-Chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methylphenyl)urea
CID 52941873
1-[1-[(2-Chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
CID 52943117
1-[5-Chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
CID 52945505
1-[1-[(2-Chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
CID 52946754
1-[1-[(2-Chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methylphenyl)urea
CID 52946882
1-[1-[(2-Chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
CID 52946883

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide (CID 23645839) is 2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide?
The InChIKey is YWTHXFCZXONJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-14(20(26)24-28)25(13-16-8-3-5-11-18(16)22)21(27)23-19-12-6-9-15-7-2-4-10-17(15)19/h2-12,14,28H,13H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide has a molecular weight of 397.86 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).