2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide

C20H17Cl2N3O — CID 71658481

IUPAC2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide
SMILESNc1[nH]c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1
InChIInChI=1S/C20H17Cl2N3O/c21-13-5-1-11(2-6-13)16-17(20(26)24-15-9-10-15)19(23)25-18(16)12-3-7-14(22)8-4-12/h1-8,15,25H,9-10,23H2,(H,24,26)
InChIKeyUSQXBVKYWZRDHH-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.13
Rot. Bonds4

About 2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide

2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide (PubChem CID 71658481) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide
PubChem CID71658481
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide
SMILESNc1[nH]c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1
InChIInChI=1S/C20H17Cl2N3O/c21-13-5-1-11(2-6-13)16-17(20(26)24-15-9-10-15)19(23)25-18(16)12-3-7-14(22)8-4-12/h1-8,15,25H,9-10,23H2,(H,24,26)
InChIKeyUSQXBVKYWZRDHH-UHFFFAOYSA-N
XLogP5.13
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-5,6-bis(4-chlorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137100790
2-Amino-5-(3-chlorophenyl)-6-(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137100795
2-amino-5-benzoyl-N-benzyl-4-(4-chlorophenyl)-1H-pyrrole-3-carboxamide
CID 53301741
2-amino-6-chloro-N-(4-chlorophenethyl)-1H-indole-3-carboxamide
CID 60157880
6-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136205717
2-amino-5-benzoyl-N-butyl-4-(4-chlorophenyl)-1H-pyrrole-3-carboxamide
CID 53301737
2-amino-5-benzoyl-N-(2,4-dichlorobenzyl)-4-(4-(trifluoromethyl)phenyl)-1H-pyrrole-3-carboxamide
CID 53301743
2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide
CID 56588229
2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide
CID 56588235
2-amino-5-benzoyl-4-(4-chlorophenyl)-N-(2-cyclohexenylethyl)-1H-pyrrole-3-carboxamide
CID 70679544
2-amino-5-benzoyl-N-(2-cyclohexenylethyl)-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide
CID 70679553
[5-amino-3-(4-chlorophenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 135008436

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide (CID 71658481) is 2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide is Nc1[nH]c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1.
What is the InChIKey of 2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide?
The InChIKey is USQXBVKYWZRDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c21-13-5-1-11(2-6-13)16-17(20(26)24-15-9-10-15)19(23)25-18(16)12-3-7-14(22)8-4-12/h1-8,15,25H,9-10,23H2,(H,24,26).
What are the key properties of 2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide?
2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide has a molecular weight of 386.28 g/mol, XLogP of 5.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 71658481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).