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

C14H20ClN3O — CID 54884054

IUPACN-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1cc(Cl)ccc1N)CC1CC1
InChIInChI=1S/C14H20ClN3O/c1-18(9-10-2-3-10)7-6-14(19)17-13-8-11(15)4-5-12(13)16/h4-5,8,10H,2-3,6-7,9,16H2,1H3,(H,17,19)
InChIKeyNFVJXQJCTZBCTH-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.59
Rot. Bonds6

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

N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide (PubChem CID 54884054) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
PubChem CID54884054
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1cc(Cl)ccc1N)CC1CC1
InChIInChI=1S/C14H20ClN3O/c1-18(9-10-2-3-10)7-6-14(19)17-13-8-11(15)4-5-12(13)16/h4-5,8,10H,2-3,6-7,9,16H2,1H3,(H,17,19)
InChIKeyNFVJXQJCTZBCTH-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
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CID 63633289
N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61431161
N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63725564
N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102860467
N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81036999
N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984755
N-(2-amino-5-chlorophenyl)-4-[methyl(thiolan-3-yl)amino]butanamide
CID 43296286
N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790772
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-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
CID 54884484

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide (CID 54884054) is N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide is CN(CCC(=O)Nc1cc(Cl)ccc1N)CC1CC1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide?
The InChIKey is NFVJXQJCTZBCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(9-10-2-3-10)7-6-14(19)17-13-8-11(15)4-5-12(13)16/h4-5,8,10H,2-3,6-7,9,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide?
N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide has a molecular weight of 281.79 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 54884054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).