[2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid

C18H18Cl2N2O2 — CID 121411494

IUPAC[2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid
SMILESO=C(O)N(CC1CCNC1)c1ccccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c19-14-7-13(8-15(20)9-14)16-3-1-2-4-17(16)22(18(23)24)11-12-5-6-21-10-12/h1-4,7-9,12,21H,5-6,10-11H2,(H,23,24)
InChIKeyDYCNJSXWTBRVPT-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.75
Rot. Bonds4

About [2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid

[2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid (PubChem CID 121411494) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is [2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid.

Molecular Properties

Compound Name[2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid
PubChem CID121411494
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name[2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid
SMILESO=C(O)N(CC1CCNC1)c1ccccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c19-14-7-13(8-15(20)9-14)16-3-1-2-4-17(16)22(18(23)24)11-12-5-6-21-10-12/h1-4,7-9,12,21H,5-6,10-11H2,(H,23,24)
InChIKeyDYCNJSXWTBRVPT-UHFFFAOYSA-N
XLogP4.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromophenyl)-(pyrrolidin-3-ylmethyl)carbamic acid
CID 121411467
(4-fluoro-2-phenylphenyl)-[[(3S)-pyrrolidin-3-yl]methyl]carbamic acid
CID 121411484
[2-(3-chloro-5-fluorophenyl)phenyl]-[[(3S)-1-methylpyrrolidin-3-yl]methyl]carbamic acid
CID 121411224
[2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid
CID 121411225
[2-(3-chloro-4-fluorophenyl)phenyl]-[[(3S)-1-methylpyrrolidin-3-yl]methyl]carbamic acid
CID 121411246
2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46891027
N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 11674680
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
methyl 2-[methyl(pyrrolidin-3-ylmethyl)amino]benzoate
CID 117028824
3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628660
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 11680997

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid?
The IUPAC name of [2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid (CID 121411494) is [2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid.
What is the SMILES notation for [2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid?
The canonical SMILES for [2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid is O=C(O)N(CC1CCNC1)c1ccccc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid?
The InChIKey is DYCNJSXWTBRVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c19-14-7-13(8-15(20)9-14)16-3-1-2-4-17(16)22(18(23)24)11-12-5-6-21-10-12/h1-4,7-9,12,21H,5-6,10-11H2,(H,23,24).
What are the key properties of [2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid?
[2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid has a molecular weight of 365.26 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenyl)phenyl]-(pyrrolidin-3-ylmethyl)carbamic acid is sourced from PubChem (CID 121411494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).