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

C14H21ClN2O2 — CID 62021726

IUPACN-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCO)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-11(2)17(9-10-18)8-7-14(19)16-13-6-4-3-5-12(13)15/h3-6,11,18H,7-10H2,1-2H3,(H,16,19)
InChIKeyMRJJYWHEPZNXHS-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.37
Rot. Bonds7

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

N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide (PubChem CID 62021726) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
PubChem CID62021726
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCO)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-11(2)17(9-10-18)8-7-14(19)16-13-6-4-3-5-12(13)15/h3-6,11,18H,7-10H2,1-2H3,(H,16,19)
InChIKeyMRJJYWHEPZNXHS-UHFFFAOYSA-N
XLogP2.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 60774874
3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide
CID 3787915
N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide
CID 54996401
methyl 3-[[3-(2-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62012452
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
N-(2-chlorophenyl)-3-methylsulfonylpropanamide
CID 47160250
2-[3-(2-chloroanilino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354169
N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 24587420
3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide
CID 109013172
3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide (CID 62021726) is N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide is CC(C)N(CCO)CCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide?
The InChIKey is MRJJYWHEPZNXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-11(2)17(9-10-18)8-7-14(19)16-13-6-4-3-5-12(13)15/h3-6,11,18H,7-10H2,1-2H3,(H,16,19).
What are the key properties of N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide?
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide has a molecular weight of 284.79 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 62021726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).