N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide

C14H17ClFN3O2 — CID 99859397

IUPACN-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide
SMILESCCN1CN(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)CC1=O
InChIInChI=1S/C14H17ClFN3O2/c1-3-18-8-19(7-13(18)20)14(21)17-9(2)11-5-4-10(16)6-12(11)15/h4-6,9H,3,7-8H2,1-2H3,(H,17,21)/t9-/m0/s1
InChIKeyXSRIGLCTLQCVIV-VIFPVBQESA-N
MW313.76 g/mol
LogP2.37
Rot. Bonds3

About N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide

N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide (PubChem CID 99859397) has the molecular formula C14H17ClFN3O2 and a molecular weight of 313.76 g/mol. Its IUPAC name is N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide
PubChem CID99859397
Molecular FormulaC14H17ClFN3O2
Molecular Weight313.76 g/mol
Exact Mass313.10
IUPAC NameN-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide
SMILESCCN1CN(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)CC1=O
InChIInChI=1S/C14H17ClFN3O2/c1-3-18-8-19(7-13(18)20)14(21)17-9(2)11-5-4-10(16)6-12(11)15/h4-6,9H,3,7-8H2,1-2H3,(H,17,21)/t9-/m0/s1
InChIKeyXSRIGLCTLQCVIV-VIFPVBQESA-N
XLogP2.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438888
1-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122002832
(3S,4S)-1-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122015732
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 146130676
(3aS,6aR)-2-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122015731
(3aS,6aR)-2-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122002838
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide
CID 119330269
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 166205674
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 121349764
3-[1-(2-chloro-4-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 122002830
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119330268
4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673773

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide (CID 99859397) is N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide is CCN1CN(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)CC1=O.
What is the InChIKey of N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide?
The InChIKey is XSRIGLCTLQCVIV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17ClFN3O2/c1-3-18-8-19(7-13(18)20)14(21)17-9(2)11-5-4-10(16)6-12(11)15/h4-6,9H,3,7-8H2,1-2H3,(H,17,21)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide?
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide has a molecular weight of 313.76 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 99859397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).