(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide

C14H20ClN3O3 — CID 71584672

IUPAC(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1ccccc1Cl)C(=O)NO
InChIInChI=1S/C14H20ClN3O3/c1-9(2)7-12(13(19)18-21)17-14(20)16-8-10-5-3-4-6-11(10)15/h3-6,9,12,21H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
InChIKeyGMYGHFKIKOTHED-LBPRGKRZSA-N
MW313.79 g/mol
LogP2.06
Rot. Bonds6

About (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide

(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide (PubChem CID 71584672) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
PubChem CID71584672
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1ccccc1Cl)C(=O)NO
InChIInChI=1S/C14H20ClN3O3/c1-9(2)7-12(13(19)18-21)17-14(20)16-8-10-5-3-4-6-11(10)15/h3-6,9,12,21H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
InChIKeyGMYGHFKIKOTHED-LBPRGKRZSA-N
XLogP2.06
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.06
H-Bond Donors ≤ 54
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

NTSR-H4 inhibitor, 1
CID 663491
(2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 71584675
(2S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide
CID 2117006
(2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 2122018
(2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide
CID 7905842
(2S)-N-[(2-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864948
2(S)-(3-Benzyl-ureido)-4-methyl-pentanoic acid hydroxyamide
CID 50913428
5-(2-Chlorophenyl)imidazolidine-2,4-dione
CID 290731
2-amino-N-[(4-chlorophenyl)methyl]-N'-hydroxypropanediamide
CID 16115629
2-{[(2-chlorophenyl)methyl](dimethylsulfamoyl)amino}-N-hydroxypropanamide
CID 23645792
(2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid
CID 663641
methyl N-[(2-chlorobenzyl)carbamoyl]-L-valinate
CID 664515

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide (CID 71584672) is (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide is CC(C)C[C@H](NC(=O)NCc1ccccc1Cl)C(=O)NO.
What is the InChIKey of (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
The InChIKey is GMYGHFKIKOTHED-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-9(2)7-12(13(19)18-21)17-14(20)16-8-10-5-3-4-6-11(10)15/h3-6,9,12,21H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide has a molecular weight of 313.79 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 71584672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).