3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide

C18H26ClN3O2 — CID 119759863

IUPAC3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C18H26ClN3O2/c1-11(2)22(3)18(24)13-7-8-15(19)16(10-13)21-17(23)12-5-4-6-14(20)9-12/h7-8,10-12,14H,4-6,9,20H2,1-3H3,(H,21,23)
InChIKeyILEVCWRQKVKLOB-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.28
Rot. Bonds4

About 3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide

3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide (PubChem CID 119759863) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide
PubChem CID119759863
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C18H26ClN3O2/c1-11(2)22(3)18(24)13-7-8-15(19)16(10-13)21-17(23)12-5-4-6-14(20)9-12/h7-8,10-12,14H,4-6,9,20H2,1-3H3,(H,21,23)
InChIKeyILEVCWRQKVKLOB-UHFFFAOYSA-N
XLogP3.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide
CID 120628461
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119816560
1-[[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079612
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119309782
3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
CID 66008930
3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide
CID 63044315
1-[[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102349
2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide (CID 119759863) is 3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide is CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2CCCC(N)C2)c1.
What is the InChIKey of 3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is ILEVCWRQKVKLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-11(2)22(3)18(24)13-7-8-15(19)16(10-13)21-17(23)12-5-4-6-14(20)9-12/h7-8,10-12,14H,4-6,9,20H2,1-3H3,(H,21,23).
What are the key properties of 3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide?
3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 351.88 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 119759863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).