N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide

C16H20Cl2N2O — CID 11667017

IUPACN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C16H20Cl2N2O/c17-13-5-4-12(15(18)8-13)10-20(14-6-7-19-9-14)16(21)11-2-1-3-11/h4-5,8,11,14,19H,1-3,6-7,9-10H2/t14-/m0/s1
InChIKeyPXZVEYWSVBEKRN-AWEZNQCLSA-N
MW327.25 g/mol
LogP3.48
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide

N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 11667017) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide
PubChem CID11667017
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C16H20Cl2N2O/c17-13-5-4-12(15(18)8-13)10-20(14-6-7-19-9-14)16(21)11-2-1-3-11/h4-5,8,11,14,19H,1-3,6-7,9-10H2/t14-/m0/s1
InChIKeyPXZVEYWSVBEKRN-AWEZNQCLSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Uamc00039
CID 11232124
1-Benzyl-N-{3-[4-(2,6-Dichlorophenyl)piperidin-1-Yl]propyl}-D-Prolinamide
CID 25001412
(2r)-2-Amino-3-(2,4-Dichlorophenyl)-1-(1,3-Dihydro-2h-Isoindol-2-Yl)propan-1-One
CID 53357987
Gsk1370319A
CID 67461788
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide
CID 23550315
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 42615253
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4880709
(S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11336016
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(2-methyl-piperidin-1-yl)-butan-1-one
CID 11359214

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide (CID 11667017) is N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide is O=C(C1CCC1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide?
The InChIKey is PXZVEYWSVBEKRN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-13-5-4-12(15(18)8-13)10-20(14-6-7-19-9-14)16(21)11-2-1-3-11/h4-5,8,11,14,19H,1-3,6-7,9-10H2/t14-/m0/s1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide?
N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide has a molecular weight of 327.25 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 11667017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).