N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide

C18H15ClFN3O — CID 158715416

IUPACN-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(NCc2cc[nH]c2)c1
InChIInChI=1S/C18H15ClFN3O/c19-16-9-15(4-5-17(16)20)23-18(24)13-2-1-3-14(8-13)22-11-12-6-7-21-10-12/h1-10,21-22H,11H2,(H,23,24)
InChIKeyDDOUZXCTYWHRQP-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.67
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide

N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide (PubChem CID 158715416) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide
PubChem CID158715416
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(NCc2cc[nH]c2)c1
InChIInChI=1S/C18H15ClFN3O/c19-16-9-15(4-5-17(16)20)23-18(24)13-2-1-3-14(8-13)22-11-12-6-7-21-10-12/h1-10,21-22H,11H2,(H,23,24)
InChIKeyDDOUZXCTYWHRQP-UHFFFAOYSA-N
XLogP4.67
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691150
N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide
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1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057416
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110794149
N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide
CID 141364165
3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66410010
N-(3-chloro-4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235706
N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide
CID 161201377

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide (CID 158715416) is N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccc(NCc2cc[nH]c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide?
The InChIKey is DDOUZXCTYWHRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c19-16-9-15(4-5-17(16)20)23-18(24)13-2-1-3-14(8-13)22-11-12-6-7-21-10-12/h1-10,21-22H,11H2,(H,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide?
N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide has a molecular weight of 343.79 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide is sourced from PubChem (CID 158715416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).