2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide

C15H18ClN3O — CID 66411778

IUPAC2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
SMILESCCn1cccc1CNc1ccc(Cl)c(C(=O)NC)c1
InChIInChI=1S/C15H18ClN3O/c1-3-19-8-4-5-12(19)10-18-11-6-7-14(16)13(9-11)15(20)17-2/h4-9,18H,3,10H2,1-2H3,(H,17,20)
InChIKeyBLPDGKQORARQCX-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.13
Rot. Bonds5

About 2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide

2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide (PubChem CID 66411778) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
PubChem CID66411778
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
SMILESCCn1cccc1CNc1ccc(Cl)c(C(=O)NC)c1
InChIInChI=1S/C15H18ClN3O/c1-3-19-8-4-5-12(19)10-18-11-6-7-14(16)13(9-11)15(20)17-2/h4-9,18H,3,10H2,1-2H3,(H,17,20)
InChIKeyBLPDGKQORARQCX-UHFFFAOYSA-N
XLogP3.13
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687
N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine
CID 66411324
3-chloro-N-[(1-ethylpyrrol-2-yl)methyl]-4-propan-2-yloxyaniline
CID 66412521
3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide
CID 66412324
N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412863
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide
CID 54865163
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 66413497
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705
2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
CID 64593149
2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
CID 60936552
N-[(1-ethylpyrrol-2-yl)methyl]-4-iodoaniline
CID 66413470

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide (CID 66411778) is 2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide is CCn1cccc1CNc1ccc(Cl)c(C(=O)NC)c1.
What is the InChIKey of 2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide?
The InChIKey is BLPDGKQORARQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-19-8-4-5-12(19)10-18-11-6-7-14(16)13(9-11)15(20)17-2/h4-9,18H,3,10H2,1-2H3,(H,17,20).
What are the key properties of 2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide?
2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide has a molecular weight of 291.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 66411778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).