(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide

C10H10ClFN2O2 — CID 93258112

IUPAC(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
SMILESC[C@H](Cl)C(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C10H10ClFN2O2/c1-6(11)9(15)14-10(16)13-8-5-3-2-4-7(8)12/h2-6H,1H3,(H2,13,14,15,16)/t6-/m0/s1
InChIKeyXMHPNSLHYGRMOM-LURJTMIESA-N
MW244.65 g/mol
LogP2.10
Rot. Bonds2

About (2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide

(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide (PubChem CID 93258112) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is (2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
PubChem CID93258112
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC Name(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
SMILESC[C@H](Cl)C(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C10H10ClFN2O2/c1-6(11)9(15)14-10(16)13-8-5-3-2-4-7(8)12/h2-6H,1H3,(H2,13,14,15,16)/t6-/m0/s1
InChIKeyXMHPNSLHYGRMOM-LURJTMIESA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 52.10
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-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide
CID 43328847
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43329114
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide
CID 62811714
2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
CID 43146314
5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964130
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide
CID 43146418
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide
CID 43146320

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide?
The IUPAC name of (2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide (CID 93258112) is (2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide.
What is the SMILES notation for (2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide?
The canonical SMILES for (2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide is C[C@H](Cl)C(=O)NC(=O)Nc1ccccc1F.
What is the InChIKey of (2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide?
The InChIKey is XMHPNSLHYGRMOM-LURJTMIESA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c1-6(11)9(15)14-10(16)13-8-5-3-2-4-7(8)12/h2-6H,1H3,(H2,13,14,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide?
(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide has a molecular weight of 244.65 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide is sourced from PubChem (CID 93258112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).