N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide

C19H21N3O — CID 165118789

IUPACN-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide
SMILESNCCc1ccc(NC(=O)c2ccc(C3=CCNC3)cc2)cc1
InChIInChI=1S/C19H21N3O/c20-11-9-14-1-7-18(8-2-14)22-19(23)16-5-3-15(4-6-16)17-10-12-21-13-17/h1-8,10,21H,9,11-13,20H2,(H,22,23)
InChIKeyYEDMEROHZHBFFM-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.43
Rot. Bonds5

About N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide

N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide (PubChem CID 165118789) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide
PubChem CID165118789
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide
SMILESNCCc1ccc(NC(=O)c2ccc(C3=CCNC3)cc2)cc1
InChIInChI=1S/C19H21N3O/c20-11-9-14-1-7-18(8-2-14)22-19(23)16-5-3-15(4-6-16)17-10-12-21-13-17/h1-8,10,21H,9,11-13,20H2,(H,22,23)
InChIKeyYEDMEROHZHBFFM-UHFFFAOYSA-N
XLogP2.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[4-(aminomethyl)phenyl]-4-N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]benzene-1,4-dicarboxamide
CID 166477004
N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118625
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118667
4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
CID 170362896
1-N-[4-(2-aminoethyl)phenyl]-4-N-[4-[2-(diformylamino)ethyl]phenyl]benzene-1,4-dicarboxamide
CID 169262539
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide
CID 172894686
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
4-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 44536182
4-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-[2-(methylamino)ethyl]phenyl]benzamide
CID 165118071
N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide
CID 165118663

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide (CID 165118789) is N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide is NCCc1ccc(NC(=O)c2ccc(C3=CCNC3)cc2)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide?
The InChIKey is YEDMEROHZHBFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c20-11-9-14-1-7-18(8-2-14)22-19(23)16-5-3-15(4-6-16)17-10-12-21-13-17/h1-8,10,21H,9,11-13,20H2,(H,22,23).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide?
N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide has a molecular weight of 307.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide is sourced from PubChem (CID 165118789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).