N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide

C14H16ClN3O — CID 55177350

IUPACN-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C14H16ClN3O/c1-18-9-11(15)7-13(18)14(19)17-8-12(16)10-5-3-2-4-6-10/h2-7,9,12H,8,16H2,1H3,(H,17,19)
InChIKeyUCZGRXKCEJYAEO-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.11
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide

N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide (PubChem CID 55177350) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide
PubChem CID55177350
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C14H16ClN3O/c1-18-9-11(15)7-13(18)14(19)17-8-12(16)10-5-3-2-4-6-10/h2-7,9,12H,8,16H2,1H3,(H,17,19)
InChIKeyUCZGRXKCEJYAEO-UHFFFAOYSA-N
XLogP2.11
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]butanoic acid
CID 65219976
N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride
CID 119527518
4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-3-ethoxybutanoic acid
CID 114226939
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465535
N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119528413
N-[(2S)-2-amino-2-phenylethyl]-1-[(3-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 99815533
N-(2-amino-2-ethylbutyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 81484909
N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 47015100
4-chloro-1-methyl-N-(2-sulfamoylethyl)pyrrole-2-carboxamide
CID 61066534
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 64884680

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide (CID 55177350) is N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide?
The InChIKey is UCZGRXKCEJYAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18-9-11(15)7-13(18)14(19)17-8-12(16)10-5-3-2-4-6-10/h2-7,9,12H,8,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide?
N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55177350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).