N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide

C24H25ClN2O2 — CID 42699036

IUPACN-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
SMILESCCC(C)N(CCC(=O)Nc1ccc2ccccc2c1)C(=O)c1ccccc1Cl
InChIInChI=1S/C24H25ClN2O2/c1-3-17(2)27(24(29)21-10-6-7-11-22(21)25)15-14-23(28)26-20-13-12-18-8-4-5-9-19(18)16-20/h4-13,16-17H,3,14-15H2,1-2H3,(H,26,28)
InChIKeyMAQUILKYSXSWBI-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.76
Rot. Bonds7

About N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide

N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide (PubChem CID 42699036) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
PubChem CID42699036
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC NameN-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
SMILESCCC(C)N(CCC(=O)Nc1ccc2ccccc2c1)C(=O)c1ccccc1Cl
InChIInChI=1S/C24H25ClN2O2/c1-3-17(2)27(24(29)21-10-6-7-11-22(21)25)15-14-23(28)26-20-13-12-18-8-4-5-9-19(18)16-20/h4-13,16-17H,3,14-15H2,1-2H3,(H,26,28)
InChIKeyMAQUILKYSXSWBI-UHFFFAOYSA-N
XLogP5.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide 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-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
CID 42699211
N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
CID 42699050
3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
CID 42699212
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225
3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113116226
3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 113116238
3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116139
N-naphthalen-2-yl-8-oxononanamide
CID 156626701
3-(ethylamino)-N-naphthalen-2-ylpropanamide
CID 62833227
3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
CID 113116212
[3-(naphthalen-2-ylamino)-3-oxopropyl]azanium
CID 7021427
N,N-di(butan-2-yl)-2-chlorobenzamide
CID 4225702

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide?
The IUPAC name of N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide (CID 42699036) is N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide?
The canonical SMILES for N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide is CCC(C)N(CCC(=O)Nc1ccc2ccccc2c1)C(=O)c1ccccc1Cl.
What is the InChIKey of N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide?
The InChIKey is MAQUILKYSXSWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-3-17(2)27(24(29)21-10-6-7-11-22(21)25)15-14-23(28)26-20-13-12-18-8-4-5-9-19(18)16-20/h4-13,16-17H,3,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide?
N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide has a molecular weight of 408.93 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 42699036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).