(4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

C14H17Cl2N3O2 — CID 71461566

IUPAC(4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CN(C)C(=O)N1C
InChIInChI=1S/C14H17Cl2N3O2/c1-8-4-9(15)5-11(16)10(8)6-17-13(20)12-7-18(2)14(21)19(12)3/h4-5,12H,6-7H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeySDPWRDHIEFPFSD-LBPRGKRZSA-N
MW330.22 g/mol
LogP2.28
Rot. Bonds3

About (4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71461566) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is (4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71461566
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name(4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CN(C)C(=O)N1C
InChIInChI=1S/C14H17Cl2N3O2/c1-8-4-9(15)5-11(16)10(8)6-17-13(20)12-7-18(2)14(21)19(12)3/h4-5,12H,6-7H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeySDPWRDHIEFPFSD-LBPRGKRZSA-N
XLogP2.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 71461566) is (4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CN(C)C(=O)N1C.
What is the InChIKey of (4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is SDPWRDHIEFPFSD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-8-4-9(15)5-11(16)10(8)6-17-13(20)12-7-18(2)14(21)19(12)3/h4-5,12H,6-7H2,1-3H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 330.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71461566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).