(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide

C15H21ClN2O2 — CID 26584984

IUPAC(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
SMILESCC(C)c1ccccc1NC(=O)CCNC(=O)[C@H](C)Cl
InChIInChI=1S/C15H21ClN2O2/c1-10(2)12-6-4-5-7-13(12)18-14(19)8-9-17-15(20)11(3)16/h4-7,10-11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyOULCVBBOXRSAKA-NSHDSACASA-N
MW296.80 g/mol
LogP2.88
Rot. Bonds6

About (2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide

(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide (PubChem CID 26584984) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
PubChem CID26584984
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
SMILESCC(C)c1ccccc1NC(=O)CCNC(=O)[C@H](C)Cl
InChIInChI=1S/C15H21ClN2O2/c1-10(2)12-6-4-5-7-13(12)18-14(19)8-9-17-15(20)11(3)16/h4-7,10-11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyOULCVBBOXRSAKA-NSHDSACASA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.88
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-(2-methoxyanilino)-3-oxopropyl]propanamide
CID 40803195
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide
CID 43328847
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163
3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109032020
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109018986
3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17179057
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide?
The IUPAC name of (2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide (CID 26584984) is (2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide.
What is the SMILES notation for (2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide?
The canonical SMILES for (2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide is CC(C)c1ccccc1NC(=O)CCNC(=O)[C@H](C)Cl.
What is the InChIKey of (2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide?
The InChIKey is OULCVBBOXRSAKA-NSHDSACASA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(2)12-6-4-5-7-13(12)18-14(19)8-9-17-15(20)11(3)16/h4-7,10-11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide?
(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide has a molecular weight of 296.80 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide is sourced from PubChem (CID 26584984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).