4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide

C18H24ClN3O3 — CID 47062886

IUPAC4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(NC(=O)CCNC(=O)C2CC2C)c1
InChIInChI=1S/C18H24ClN3O3/c1-10(2)21-17(24)12-4-5-14(19)15(9-12)22-16(23)6-7-20-18(25)13-8-11(13)3/h4-5,9-11,13H,6-8H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyLDMQKOVFXVEGNQ-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.58
Rot. Bonds7

About 4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide

4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide (PubChem CID 47062886) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide
PubChem CID47062886
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(NC(=O)CCNC(=O)C2CC2C)c1
InChIInChI=1S/C18H24ClN3O3/c1-10(2)21-17(24)12-4-5-14(19)15(9-12)22-16(23)6-7-20-18(25)13-8-11(13)3/h4-5,9-11,13H,6-8H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyLDMQKOVFXVEGNQ-UHFFFAOYSA-N
XLogP2.58
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide 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

cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 38741503
4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide
CID 60532091
trans-(1R,2R)-N-[3-(5-bromo-3-chloro-2-hydroxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 97091548
4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 52662482
4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 94141178
3-[5-(4-bromophenyl)pentanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55895332
4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 24688502
N-[3-[[(4-chlorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55651655
4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 47049795
trans-(1R,2R)-N-[3-(3-chloro-4-pyrrolidin-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294533
trans-(1R,2R)-N-[3-(5-bromo-2-fluoroanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95621041
N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 47029795

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide (CID 47062886) is 4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cl)c(NC(=O)CCNC(=O)C2CC2C)c1.
What is the InChIKey of 4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is LDMQKOVFXVEGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-10(2)21-17(24)12-4-5-14(19)15(9-12)22-16(23)6-7-20-18(25)13-8-11(13)3/h4-5,9-11,13H,6-8H2,1-3H3,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of 4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide?
4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 365.86 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 47062886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).