N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide

C13H16ClNO2 — CID 2468229

IUPACN-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-8(2)13(17)15-11-6-4-10(5-7-11)12(16)9(3)14/h4-9H,1-3H3,(H,15,17)/t9-/m1/s1
InChIKeyNKRRDBOALIKWRC-SECBINFHSA-N
MW253.73 g/mol
LogP3.09
Rot. Bonds4

About N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide

N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide (PubChem CID 2468229) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide
PubChem CID2468229
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-8(2)13(17)15-11-6-4-10(5-7-11)12(16)9(3)14/h4-9H,1-3H3,(H,15,17)/t9-/m1/s1
InChIKeyNKRRDBOALIKWRC-SECBINFHSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
N-(4-carbamothioylphenyl)-2-methylpropanamide
CID 24694083
4-[[(2S)-2-chloropropanoyl]amino]benzamide
CID 2118148
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide
CID 39949041
N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 71207836
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide (CID 2468229) is N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Cl)cc1.
What is the InChIKey of N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide?
The InChIKey is NKRRDBOALIKWRC-SECBINFHSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8(2)13(17)15-11-6-4-10(5-7-11)12(16)9(3)14/h4-9H,1-3H3,(H,15,17)/t9-/m1/s1.
What are the key properties of N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide?
N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide has a molecular weight of 253.73 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 2468229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).