3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide

C15H18ClN7O2 — CID 154803232

IUPAC3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)c2ccc(-n3cnnn3)cc2Cl)C1
InChIInChI=1S/C15H18ClN7O2/c1-2-17-15(25)22-6-5-10(8-22)19-14(24)12-4-3-11(7-13(12)16)23-9-18-20-21-23/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,17,25)(H,19,24)
InChIKeyPZGBFFQNUPTPBZ-UHFFFAOYSA-N
MW363.81 g/mol
LogP0.85
Rot. Bonds4

About 3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide

3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide (PubChem CID 154803232) has the molecular formula C15H18ClN7O2 and a molecular weight of 363.81 g/mol. Its IUPAC name is 3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide
PubChem CID154803232
Molecular FormulaC15H18ClN7O2
Molecular Weight363.81 g/mol
Exact Mass363.12
IUPAC Name3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)c2ccc(-n3cnnn3)cc2Cl)C1
InChIInChI=1S/C15H18ClN7O2/c1-2-17-15(25)22-6-5-10(8-22)19-14(24)12-4-3-11(7-13(12)16)23-9-18-20-21-23/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,17,25)(H,19,24)
InChIKeyPZGBFFQNUPTPBZ-UHFFFAOYSA-N
XLogP0.85
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 120945715
methyl (3S)-3-[[4-(tetrazol-1-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 95777987
[2-chloro-4-(tetrazol-1-yl)phenyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589606
3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride
CID 120638870
2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 136546547
N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
CID 95296179
1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 126770633
(3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 129381235
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 154798269
N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide
CID 154740001
2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 111102341
(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125166963

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide (CID 154803232) is 3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)c2ccc(-n3cnnn3)cc2Cl)C1.
What is the InChIKey of 3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is PZGBFFQNUPTPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN7O2/c1-2-17-15(25)22-6-5-10(8-22)19-14(24)12-4-3-11(7-13(12)16)23-9-18-20-21-23/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,17,25)(H,19,24).
What are the key properties of 3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide?
3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 154803232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).