N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide

C19H24ClN3O — CID 119743334

IUPACN-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(NC(C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C19H24ClN3O/c1-13(12-21-3)19(24)23-16-9-10-18(17(20)11-16)22-14(2)15-7-5-4-6-8-15/h4-11,13-14,21-22H,12H2,1-3H3,(H,23,24)
InChIKeyWELHNIWBGRUVMV-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.31
Rot. Bonds7

About N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide

N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119743334) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119743334
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC NameN-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(NC(C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C19H24ClN3O/c1-13(12-21-3)19(24)23-16-9-10-18(17(20)11-16)22-14(2)15-7-5-4-6-8-15/h4-11,13-14,21-22H,12H2,1-3H3,(H,23,24)
InChIKeyWELHNIWBGRUVMV-UHFFFAOYSA-N
XLogP4.31
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]-4-methylsulfanylbutanamide
CID 119300289
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea
CID 52501243
2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195612
1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide
CID 119743322
3-chloro-4-(1-phenylethylamino)benzoic acid
CID 63088121
1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119300292
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 49263668
3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide
CID 52763720
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide (CID 119743334) is N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccc(NC(C)c2ccccc2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is WELHNIWBGRUVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-13(12-21-3)19(24)23-16-9-10-18(17(20)11-16)22-14(2)15-7-5-4-6-8-15/h4-11,13-14,21-22H,12H2,1-3H3,(H,23,24).
What are the key properties of N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide?
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 345.87 g/mol, XLogP of 4.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119743334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).