N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide

C15H16ClN3O2 — CID 50897778

IUPACN-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1
InChIInChI=1S/C15H16ClN3O2/c1-19(2)9-14(20)18-12-6-5-10(16)8-11(12)15(21)13-4-3-7-17-13/h3-8,17H,9H2,1-2H3,(H,18,20)
InChIKeySSQCNEPIMKOSPY-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.40
Rot. Bonds5

About N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide

N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide (PubChem CID 50897778) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide
PubChem CID50897778
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC NameN-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1
InChIInChI=1S/C15H16ClN3O2/c1-19(2)9-14(20)18-12-6-5-10(16)8-11(12)15(21)13-4-3-7-17-13/h3-8,17H,9H2,1-2H3,(H,18,20)
InChIKeySSQCNEPIMKOSPY-UHFFFAOYSA-N
XLogP2.40
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide
CID 75437642
N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide
CID 99839578
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
(2S)-2,6-diamino-N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]hexanamide
CID 50897796
1-[[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088004
N-(2-benzoyl-4-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45372617
2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide
CID 72722181
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
1-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]urea
CID 97248254
N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide
CID 88844912
N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide
CID 18870864
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544807

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide (CID 50897778) is N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1.
What is the InChIKey of N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide?
The InChIKey is SSQCNEPIMKOSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-19(2)9-14(20)18-12-6-5-10(16)8-11(12)15(21)13-4-3-7-17-13/h3-8,17H,9H2,1-2H3,(H,18,20).
What are the key properties of N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide?
N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide has a molecular weight of 305.77 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 50897778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).