N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide

C13H19ClN2O2 — CID 110881185

IUPACN-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
SMILESCCN(CCO)C(C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-16(7-8-17)10(2)13(18)15-12-6-4-5-11(14)9-12/h4-6,9-10,17H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyCAGWOMAVXZLOPO-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.98
Rot. Bonds6

About N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide

N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide (PubChem CID 110881185) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
PubChem CID110881185
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
SMILESCCN(CCO)C(C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-16(7-8-17)10(2)13(18)15-12-6-4-5-11(14)9-12/h4-6,9-10,17H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyCAGWOMAVXZLOPO-UHFFFAOYSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119912317
N-(3-chlorophenyl)-2-methylbutanamide
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N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
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N-(3-chlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112769359
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
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N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide
CID 102991480
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-[4-(difluoromethoxy)phenyl]-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881217
(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385868
(2R,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385866
(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517313

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide (CID 110881185) is N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide is CCN(CCO)C(C)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide?
The InChIKey is CAGWOMAVXZLOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-16(7-8-17)10(2)13(18)15-12-6-4-5-11(14)9-12/h4-6,9-10,17H,3,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide?
N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide has a molecular weight of 270.76 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide is sourced from PubChem (CID 110881185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).