2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide

C13H17ClN2O2 — CID 92660374

IUPAC2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Cl
InChIInChI=1S/C13H17ClN2O2/c1-3-8-15-13(18)10-6-4-5-7-11(10)16-12(17)9(2)14/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyIZXSAPOGJYXJOS-SECBINFHSA-N
MW268.74 g/mol
LogP2.39
Rot. Bonds5

About 2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide

2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide (PubChem CID 92660374) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide
PubChem CID92660374
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Cl
InChIInChI=1S/C13H17ClN2O2/c1-3-8-15-13(18)10-6-4-5-7-11(10)16-12(17)9(2)14/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyIZXSAPOGJYXJOS-SECBINFHSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660375
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide
CID 24710893
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
CID 42906301
2-hydrazinyl-N-propylbenzamide
CID 62238054
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
N-butyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 46585555
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
2-[(4-propan-2-yloxybenzoyl)amino]-N-propylbenzamide
CID 4951942
3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide (CID 92660374) is 2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Cl.
What is the InChIKey of 2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide?
The InChIKey is IZXSAPOGJYXJOS-SECBINFHSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-8-15-13(18)10-6-4-5-7-11(10)16-12(17)9(2)14/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H,16,17)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide?
2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide has a molecular weight of 268.74 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 92660374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).