4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide

C19H19ClN2O3 — CID 51958466

IUPAC4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
SMILESC[C@@H]1Oc2ccc(NC(=O)CCCc3ccc(Cl)cc3)cc2NC1=O
InChIInChI=1S/C19H19ClN2O3/c1-12-19(24)22-16-11-15(9-10-17(16)25-12)21-18(23)4-2-3-13-5-7-14(20)8-6-13/h5-12H,2-4H2,1H3,(H,21,23)(H,22,24)/t12-/m0/s1
InChIKeyCKCASVHOVRQGSU-LBPRGKRZSA-N
MW358.83 g/mol
LogP4.02
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide

4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide (PubChem CID 51958466) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
PubChem CID51958466
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
SMILESC[C@@H]1Oc2ccc(NC(=O)CCCc3ccc(Cl)cc3)cc2NC1=O
InChIInChI=1S/C19H19ClN2O3/c1-12-19(24)22-16-11-15(9-10-17(16)25-12)21-18(23)4-2-3-13-5-7-14(20)8-6-13/h5-12H,2-4H2,1H3,(H,21,23)(H,22,24)/t12-/m0/s1
InChIKeyCKCASVHOVRQGSU-LBPRGKRZSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 84938811
4-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273981
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide
CID 51592779
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide
CID 18164565
5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 46516497
3-(4-fluorophenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 9146076
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(2-methylphenyl)propanamide
CID 110778176
2-(2,4-dichlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145011
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9147824
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide
CID 40686360
3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 60867993

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide (CID 51958466) is 4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide is C[C@@H]1Oc2ccc(NC(=O)CCCc3ccc(Cl)cc3)cc2NC1=O.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide?
The InChIKey is CKCASVHOVRQGSU-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-12-19(24)22-16-11-15(9-10-17(16)25-12)21-18(23)4-2-3-13-5-7-14(20)8-6-13/h5-12H,2-4H2,1H3,(H,21,23)(H,22,24)/t12-/m0/s1.
What are the key properties of 4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide?
4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide has a molecular weight of 358.83 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide is sourced from PubChem (CID 51958466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).