N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide

C22H19ClN2O3 — CID 90459234

IUPACN-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)CCl
InChIInChI=1S/C22H19ClN2O3/c1-28-20-12-11-18(13-19(20)25-21(26)14-23)24-22(27)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyLOGZINOFLFOUDI-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.79
Rot. Bonds6

About N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide

N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide (PubChem CID 90459234) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide
PubChem CID90459234
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC NameN-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)CCl
InChIInChI=1S/C22H19ClN2O3/c1-28-20-12-11-18(13-19(20)25-21(26)14-23)24-22(27)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyLOGZINOFLFOUDI-UHFFFAOYSA-N
XLogP4.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 37013397
N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide
CID 90459882
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide
CID 18804059
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
4-methoxy-N-[2-methoxy-5-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 46323186
4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide
CID 90459667
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-[2-[4-methoxy-3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 131925236
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide
CID 162238892

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide (CID 90459234) is N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide is COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)CCl.
What is the InChIKey of N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide?
The InChIKey is LOGZINOFLFOUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-28-20-12-11-18(13-19(20)25-21(26)14-23)24-22(27)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide?
N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide has a molecular weight of 394.86 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide is sourced from PubChem (CID 90459234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).