4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide

C16H21ClN2O2 — CID 106608308

IUPAC4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1O)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H21ClN2O2/c17-12-5-6-14(15(20)8-12)16(21)19(9-11-3-4-11)10-13-2-1-7-18-13/h5-6,8,11,13,18,20H,1-4,7,9-10H2
InChIKeySNXOTWOYEVZPRD-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.65
Rot. Bonds5

About 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide

4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106608308) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106608308
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1O)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H21ClN2O2/c17-12-5-6-14(15(20)8-12)16(21)19(9-11-3-4-11)10-13-2-1-7-18-13/h5-6,8,11,13,18,20H,1-4,7,9-10H2
InChIKeySNXOTWOYEVZPRD-UHFFFAOYSA-N
XLogP2.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-hydroxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608691
4-chloro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611503
4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608555
N-(cyclopropylmethyl)-2-hydroxy-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107732244
3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608668
N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107728841
5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608490
2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106688645
N-(cyclopropylmethyl)-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608699
5-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106608722
3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608291
2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608591

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106608308) is 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(c1ccc(Cl)cc1O)N(CC1CC1)CC1CCCN1.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is SNXOTWOYEVZPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-12-5-6-14(15(20)8-12)16(21)19(9-11-3-4-11)10-13-2-1-7-18-13/h5-6,8,11,13,18,20H,1-4,7,9-10H2.
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 308.81 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106608308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).