N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide

C24H22Cl2N2O3 — CID 2261087

IUPACN-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C24H22Cl2N2O3/c1-2-3-13-31-20-6-4-5-16(14-20)23(29)27-18-8-10-19(11-9-18)28-24(30)21-12-7-17(25)15-22(21)26/h4-12,14-15H,2-3,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyURPLSFHNUZEECL-UHFFFAOYSA-N
MW457.36 g/mol
LogP6.68
Rot. Bonds8

About N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide

N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide (PubChem CID 2261087) has the molecular formula C24H22Cl2N2O3 and a molecular weight of 457.36 g/mol. Its IUPAC name is N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
PubChem CID2261087
Molecular FormulaC24H22Cl2N2O3
Molecular Weight457.36 g/mol
Exact Mass456.10
IUPAC NameN-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C24H22Cl2N2O3/c1-2-3-13-31-20-6-4-5-16(14-20)23(29)27-18-8-10-19(11-9-18)28-24(30)21-12-7-17(25)15-22(21)26/h4-12,14-15H,2-3,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyURPLSFHNUZEECL-UHFFFAOYSA-N
XLogP6.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
3-butoxy-N-(2,5-dichlorophenyl)benzamide
CID 4956542
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157613
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792
2,4-dichloro-N'-(3-ethoxybenzoyl)benzohydrazide
CID 4957514
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide (CID 2261087) is N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide is CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1.
What is the InChIKey of N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide?
The InChIKey is URPLSFHNUZEECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3/c1-2-3-13-31-20-6-4-5-16(14-20)23(29)27-18-8-10-19(11-9-18)28-24(30)21-12-7-17(25)15-22(21)26/h4-12,14-15H,2-3,13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide?
N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide has a molecular weight of 457.36 g/mol, XLogP of 6.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 2261087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).