N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide

C25H25ClN2O4 — CID 17111386

IUPACN-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1
InChIInChI=1S/C25H25ClN2O4/c1-3-4-15-32-19-12-9-17(10-13-19)24(29)27-18-11-14-22(23(16-18)31-2)28-25(30)20-7-5-6-8-21(20)26/h5-14,16H,3-4,15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyKOXWRILDBMCUFE-UHFFFAOYSA-N
MW452.94 g/mol
LogP6.03
Rot. Bonds9

About N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide

N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide (PubChem CID 17111386) has the molecular formula C25H25ClN2O4 and a molecular weight of 452.94 g/mol. Its IUPAC name is N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide
PubChem CID17111386
Molecular FormulaC25H25ClN2O4
Molecular Weight452.94 g/mol
Exact Mass452.15
IUPAC NameN-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1
InChIInChI=1S/C25H25ClN2O4/c1-3-4-15-32-19-12-9-17(10-13-19)24(29)27-18-11-14-22(23(16-18)31-2)28-25(30)20-7-5-6-8-21(20)26/h5-14,16H,3-4,15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyKOXWRILDBMCUFE-UHFFFAOYSA-N
XLogP6.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide
CID 22780959
2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 1319753
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2932391
2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide
CID 17111369
2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4014221
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
4-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-3-nitrobenzamide
CID 17111361
2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 1313904
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide?
The IUPAC name of N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide (CID 17111386) is N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide?
The canonical SMILES for N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide is CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1.
What is the InChIKey of N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide?
The InChIKey is KOXWRILDBMCUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4/c1-3-4-15-32-19-12-9-17(10-13-19)24(29)27-18-11-14-22(23(16-18)31-2)28-25(30)20-7-5-6-8-21(20)26/h5-14,16H,3-4,15H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide?
N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide has a molecular weight of 452.94 g/mol, XLogP of 6.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide is sourced from PubChem (CID 17111386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).