N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide

C21H28ClN3O2 — CID 23739109

IUPACN-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide
SMILESNC1CCCCC1N(Cc1cc(NC(=O)C2CC2)ccc1Cl)C(=O)C1CC1
InChIInChI=1S/C21H28ClN3O2/c22-17-10-9-16(24-20(26)13-5-6-13)11-15(17)12-25(21(27)14-7-8-14)19-4-2-1-3-18(19)23/h9-11,13-14,18-19H,1-8,12,23H2,(H,24,26)
InChIKeyLRXQZQWZYLNDKD-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.70
Rot. Bonds6

About N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide

N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide (PubChem CID 23739109) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide
PubChem CID23739109
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC NameN-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide
SMILESNC1CCCCC1N(Cc1cc(NC(=O)C2CC2)ccc1Cl)C(=O)C1CC1
InChIInChI=1S/C21H28ClN3O2/c22-17-10-9-16(24-20(26)13-5-6-13)11-15(17)12-25(21(27)14-7-8-14)19-4-2-1-3-18(19)23/h9-11,13-14,18-19H,1-8,12,23H2,(H,24,26)
InChIKeyLRXQZQWZYLNDKD-UHFFFAOYSA-N
XLogP3.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide
CID 23908761
N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide
CID 23907684
N-(2-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-4-cyanobenzamide
CID 23879579
N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide
CID 23742097
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 23823774
N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide
CID 23790905
N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-3-fluorobenzamide
CID 23935406
N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide
CID 23823004
N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide
CID 23856210
N-(4-chloro-3-hydroxyphenyl)cyclooctanecarboxamide
CID 65023340
2-chloro-N-[[5-(cyclobutanecarbonylamino)-2-(dimethylamino)phenyl]methyl]-N-cyclohexylbenzamide
CID 46138113
4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide
CID 54928815

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide (CID 23739109) is N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide is NC1CCCCC1N(Cc1cc(NC(=O)C2CC2)ccc1Cl)C(=O)C1CC1.
What is the InChIKey of N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide?
The InChIKey is LRXQZQWZYLNDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c22-17-10-9-16(24-20(26)13-5-6-13)11-15(17)12-25(21(27)14-7-8-14)19-4-2-1-3-18(19)23/h9-11,13-14,18-19H,1-8,12,23H2,(H,24,26).
What are the key properties of N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide?
N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide has a molecular weight of 389.93 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide is sourced from PubChem (CID 23739109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).