N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide

C17H22ClN3O2 — CID 109398109

IUPACN-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC1CCCC1O
InChIInChI=1S/C17H22ClN3O2/c1-11(21(2)10-13-4-3-5-16(13)22)17(23)20-14-7-6-12(9-19)15(18)8-14/h6-8,11,13,16,22H,3-5,10H2,1-2H3,(H,20,23)
InChIKeyAEQQJACYQOSRFJ-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.63
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide

N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide (PubChem CID 109398109) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
PubChem CID109398109
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC1CCCC1O
InChIInChI=1S/C17H22ClN3O2/c1-11(21(2)10-13-4-3-5-16(13)22)17(23)20-14-7-6-12(9-19)15(18)8-14/h6-8,11,13,16,22H,3-5,10H2,1-2H3,(H,20,23)
InChIKeyAEQQJACYQOSRFJ-UHFFFAOYSA-N
XLogP2.63
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-cyanophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396934
(2S)-N-(3-chloro-4-cyanophenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide
CID 95344481
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 109398085
N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109398054
2-chloro-4-[[(1R,2S)-2-hydroxycyclopentyl]methylamino]benzonitrile
CID 95778487
2-chloro-4-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]benzonitrile
CID 95778489
N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide
CID 24507757
(2S)-N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)propanamide
CID 67012255
(2S)-N-(3-chloro-4-cyanophenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide
CID 9460940
2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 75448405
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 109398067
(2S)-N-(3-chloro-4-cyanophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 9275660

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide (CID 109398109) is N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide is CC(C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC1CCCC1O.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide?
The InChIKey is AEQQJACYQOSRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-11(21(2)10-13-4-3-5-16(13)22)17(23)20-14-7-6-12(9-19)15(18)8-14/h6-8,11,13,16,22H,3-5,10H2,1-2H3,(H,20,23).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide?
N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide has a molecular weight of 335.84 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide is sourced from PubChem (CID 109398109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).