2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide

C14H20ClN3O2 — CID 166304512

IUPAC2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1cc(Cl)ccc1N)C(=O)NC
InChIInChI=1S/C14H20ClN3O2/c1-4-8(2)12(14(20)17-3)18-13(19)10-7-9(15)5-6-11(10)16/h5-8,12H,4,16H2,1-3H3,(H,17,20)(H,18,19)/t8-,12-/m0/s1
InChIKeyIUBUYVQKHURCFH-UFBFGSQYSA-N
MW297.79 g/mol
LogP1.81
Rot. Bonds5

About 2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide

2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (PubChem CID 166304512) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
PubChem CID166304512
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1cc(Cl)ccc1N)C(=O)NC
InChIInChI=1S/C14H20ClN3O2/c1-4-8(2)12(14(20)17-3)18-13(19)10-7-9(15)5-6-11(10)16/h5-8,12H,4,16H2,1-3H3,(H,17,20)(H,18,19)/t8-,12-/m0/s1
InChIKeyIUBUYVQKHURCFH-UFBFGSQYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843254
2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid
CID 174472101
2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
CID 64602381
2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93081140
[1-oxo-1-(pentan-3-ylamino)propan-2-yl] 2-amino-5-chlorobenzoate
CID 61323030
2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
CID 103764241
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7471728
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
2,4-dichloro-N-[1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 42662182

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (CID 166304512) is 2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1cc(Cl)ccc1N)C(=O)NC.
What is the InChIKey of 2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The InChIKey is IUBUYVQKHURCFH-UFBFGSQYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-4-8(2)12(14(20)17-3)18-13(19)10-7-9(15)5-6-11(10)16/h5-8,12H,4,16H2,1-3H3,(H,17,20)(H,18,19)/t8-,12-/m0/s1.
What are the key properties of 2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide has a molecular weight of 297.79 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 166304512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).