(2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide

C13H17ClN2O2 — CID 40803222

IUPAC(2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide
SMILESCc1ccc(NC(=O)CCNC(=O)[C@@H](C)Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-9-3-5-11(6-4-9)16-12(17)7-8-15-13(18)10(2)14/h3-6,10H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyGCWBHOQSJOBTCS-SNVBAGLBSA-N
MW268.74 g/mol
LogP2.07
Rot. Bonds5

About (2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide

(2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide (PubChem CID 40803222) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide
PubChem CID40803222
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide
SMILESCc1ccc(NC(=O)CCNC(=O)[C@@H](C)Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-9-3-5-11(6-4-9)16-12(17)7-8-15-13(18)10(2)14/h3-6,10H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyGCWBHOQSJOBTCS-SNVBAGLBSA-N
XLogP2.07
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 ≤ 52.07
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

(2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide
CID 40803430
(2R)-2-bromo-N-[3-(4-methylanilino)-3-oxopropyl]butanamide
CID 40803225
N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide
CID 109012816
N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790
3-(dichloromethylsulfonyl)-N-(4-methylphenyl)propanamide
CID 21205262
ethyl N-[3-[4-(2-methylpropanoylamino)anilino]-3-oxopropyl]carbamate
CID 46427395
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
2-[[4-(4-methylanilino)-4-oxobutanoyl]amino]propanoic acid
CID 82043438
3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide
CID 109034349
3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 109019987
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(4-methylphenyl)pentanamide
CID 3662375

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide (CID 40803222) is (2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide is Cc1ccc(NC(=O)CCNC(=O)[C@@H](C)Cl)cc1.
What is the InChIKey of (2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide?
The InChIKey is GCWBHOQSJOBTCS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-3-5-11(6-4-9)16-12(17)7-8-15-13(18)10(2)14/h3-6,10H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide?
(2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide has a molecular weight of 268.74 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide is sourced from PubChem (CID 40803222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).