N-(1-chloropropan-2-yl)benzamide

C10H12ClNO — CID 3683093

IUPACN-(1-chloropropan-2-yl)benzamide
SMILESCC(CCl)NC(=O)c1ccccc1
InChIInChI=1S/C10H12ClNO/c1-8(7-11)12-10(13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)
InChIKeyPMLBCNUPBQXNPQ-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.04
Rot. Bonds3

About N-(1-chloropropan-2-yl)benzamide

N-(1-chloropropan-2-yl)benzamide (PubChem CID 3683093) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)benzamide
PubChem CID3683093
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC NameN-(1-chloropropan-2-yl)benzamide
SMILESCC(CCl)NC(=O)c1ccccc1
InChIInChI=1S/C10H12ClNO/c1-8(7-11)12-10(13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)
InChIKeyPMLBCNUPBQXNPQ-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-(1-chloropropan-2-yl)-3-iodobenzamide
CID 114299662
N-(4-aminobutan-2-yl)benzamide
CID 62087210
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
methyl 3-benzamidobutanoate
CID 10857046
N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide
CID 176730302
N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
N-[(3S)-4-chloro-3-(methoxymethoxy)butan-2-yl]benzamide
CID 175068387
N-(1-chloropropan-2-yl)pyrimidine-5-carboxamide
CID 102922755

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)benzamide?
The IUPAC name of N-(1-chloropropan-2-yl)benzamide (CID 3683093) is N-(1-chloropropan-2-yl)benzamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)benzamide?
The canonical SMILES for N-(1-chloropropan-2-yl)benzamide is CC(CCl)NC(=O)c1ccccc1.
What is the InChIKey of N-(1-chloropropan-2-yl)benzamide?
The InChIKey is PMLBCNUPBQXNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-8(7-11)12-10(13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13).
What are the key properties of N-(1-chloropropan-2-yl)benzamide?
N-(1-chloropropan-2-yl)benzamide has a molecular weight of 197.67 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)benzamide is sourced from PubChem (CID 3683093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).