2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide

C18H18ClN3O3 — CID 21152776

IUPAC2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide
SMILESCC(N)C(=O)NC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H18ClN3O3/c1-11(20)18(25)22-16(23)10-21-15-8-7-13(19)9-14(15)17(24)12-5-3-2-4-6-12/h2-9,11,21H,10,20H2,1H3,(H,22,23,25)
InChIKeyIOXIDHSWTVTUBT-UHFFFAOYSA-N
MW359.81 g/mol
LogP1.97
Rot. Bonds6

About 2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide

2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide (PubChem CID 21152776) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide
PubChem CID21152776
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide
SMILESCC(N)C(=O)NC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H18ClN3O3/c1-11(20)18(25)22-16(23)10-21-15-8-7-13(19)9-14(15)17(24)12-5-3-2-4-6-12/h2-9,11,21H,10,20H2,1H3,(H,22,23,25)
InChIKeyIOXIDHSWTVTUBT-UHFFFAOYSA-N
XLogP1.97
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

2-(2-benzoyl-4-chloroanilino)acetate
CID 4162627
[5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone
CID 528283
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
2-amino-N-(2-benzoyl-4-chlorophenyl)-2-fluoroacetamide
CID 23332701
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2426723
5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 47409666
[5-chloro-2-(cyclopropylmethylamino)phenyl]-phenylmethanone
CID 526490
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956
[5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride
CID 162143161
(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-4-methylpentanamide
CID 54068731

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide?
The IUPAC name of 2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide (CID 21152776) is 2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide?
The canonical SMILES for 2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide is CC(N)C(=O)NC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of 2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide?
The InChIKey is IOXIDHSWTVTUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-11(20)18(25)22-16(23)10-21-15-8-7-13(19)9-14(15)17(24)12-5-3-2-4-6-12/h2-9,11,21H,10,20H2,1H3,(H,22,23,25).
What are the key properties of 2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide?
2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide has a molecular weight of 359.81 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide is sourced from PubChem (CID 21152776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).