N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C21H25ClN2O2 — CID 119308776

IUPACN-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)C1CCCN1
InChIInChI=1S/C21H24N2O2.ClH/c24-21(19-4-1-11-22-19)23-14-15-5-7-16(8-6-15)17-9-10-20-18(13-17)3-2-12-25-20;/h5-10,13,19,22H,1-4,11-12,14H2,(H,23,24);1H
InChIKeyPQQJUXJGJLATAI-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.47
Rot. Bonds4

About N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119308776) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119308776
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)C1CCCN1
InChIInChI=1S/C21H24N2O2.ClH/c24-21(19-4-1-11-22-19)23-14-15-5-7-16(8-6-15)17-9-10-20-18(13-17)3-2-12-25-20;/h5-10,13,19,22H,1-4,11-12,14H2,(H,23,24);1H
InChIKeyPQQJUXJGJLATAI-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119307661
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119268706
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247
(2S)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125443999
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 138042333
2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide
CID 120988314
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
CID 166182728
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119308776) is N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)C1CCCN1.
What is the InChIKey of N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PQQJUXJGJLATAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.ClH/c24-21(19-4-1-11-22-19)23-14-15-5-7-16(8-6-15)17-9-10-20-18(13-17)3-2-12-25-20;/h5-10,13,19,22H,1-4,11-12,14H2,(H,23,24);1H.
What are the key properties of N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119308776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).