N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide

C12H18ClN3O2 — CID 54879333

IUPACN-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCN(CCO)CCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C12H18ClN3O2/c1-16(6-7-17)5-4-12(18)15-11-8-9(13)2-3-10(11)14/h2-3,8,17H,4-7,14H2,1H3,(H,15,18)
InChIKeySXFVTXPZPNAWEF-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.17
Rot. Bonds6

About N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide

N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide (PubChem CID 54879333) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
PubChem CID54879333
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC NameN-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCN(CCO)CCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C12H18ClN3O2/c1-16(6-7-17)5-4-12(18)15-11-8-9(13)2-3-10(11)14/h2-3,8,17H,4-7,14H2,1H3,(H,15,18)
InChIKeySXFVTXPZPNAWEF-UHFFFAOYSA-N
XLogP1.17
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81036999
N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884054
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61243364
N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102860467
N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790772
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450431
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide (CID 54879333) is N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide is CN(CCO)CCC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide?
The InChIKey is SXFVTXPZPNAWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-16(6-7-17)5-4-12(18)15-11-8-9(13)2-3-10(11)14/h2-3,8,17H,4-7,14H2,1H3,(H,15,18).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide?
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide has a molecular weight of 271.75 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide is sourced from PubChem (CID 54879333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).