N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride

C18H26ClN3O2 — CID 119612158

IUPACN-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H25N3O2.ClH/c19-11-14-3-1-2-4-16(14)21-18(23)13-7-9-15(10-8-13)20-17(22)12-5-6-12;/h7-10,12,14,16H,1-6,11,19H2,(H,20,22)(H,21,23);1H
InChIKeyUMOHSFMLSOLYGW-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride (PubChem CID 119612158) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
PubChem CID119612158
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H25N3O2.ClH/c19-11-14-3-1-2-4-16(14)21-18(23)13-7-9-15(10-8-13)20-17(22)12-5-6-12;/h7-10,12,14,16H,1-6,11,19H2,(H,20,22)(H,21,23);1H
InChIKeyUMOHSFMLSOLYGW-UHFFFAOYSA-N
XLogP2.70
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide
CID 119604775
N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119611483
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
4-(cyclopropanecarbonylamino)-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55534252
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331
N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119591804
N-[2-(aminomethyl)cyclohexyl]-4-(1,3-dithian-2-yl)benzamide;hydrochloride
CID 119610012
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
CID 119612061

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride (CID 119612158) is N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The InChIKey is UMOHSFMLSOLYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c19-11-14-3-1-2-4-16(14)21-18(23)13-7-9-15(10-8-13)20-17(22)12-5-6-12;/h7-10,12,14,16H,1-6,11,19H2,(H,20,22)(H,21,23);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119612158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).