N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide

C17H23Cl2N3O2 — CID 119611965

IUPACN-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1CCCCC1CN
InChIInChI=1S/C17H23Cl2N3O2/c1-10(16(23)22-14-8-3-2-5-11(14)9-20)21-17(24)12-6-4-7-13(18)15(12)19/h4,6-7,10-11,14H,2-3,5,8-9,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyFTBKFMDXCXTDFN-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.75
Rot. Bonds5

About N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide

N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide (PubChem CID 119611965) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
PubChem CID119611965
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC NameN-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1CCCCC1CN
InChIInChI=1S/C17H23Cl2N3O2/c1-10(16(23)22-14-8-3-2-5-11(14)9-20)21-17(24)12-6-4-7-13(18)15(12)19/h4,6-7,10-11,14H,2-3,5,8-9,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyFTBKFMDXCXTDFN-UHFFFAOYSA-N
XLogP2.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 55739288
N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
CID 119469184
N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119601989
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
CID 119634053
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119588241
N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119602707
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 120947349
[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone
CID 116584564
N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119609657
tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
CID 81003606
N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119600529

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
The IUPAC name of N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide (CID 119611965) is N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide.
What is the SMILES notation for N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
The canonical SMILES for N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1CCCCC1CN.
What is the InChIKey of N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
The InChIKey is FTBKFMDXCXTDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2/c1-10(16(23)22-14-8-3-2-5-11(14)9-20)21-17(24)12-6-4-7-13(18)15(12)19/h4,6-7,10-11,14H,2-3,5,8-9,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide has a molecular weight of 372.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide is sourced from PubChem (CID 119611965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).