3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide

C21H24ClNO3 — CID 42145534

IUPAC3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCC2(c3ccccc3)CC2)cc(Cl)c1OC(C)C
InChIInChI=1S/C21H24ClNO3/c1-14(2)26-19-17(22)11-15(12-18(19)25-3)20(24)23-13-21(9-10-21)16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,23,24)
InChIKeyXUYPHPMVVSHLOS-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.60
Rot. Bonds7

About 3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide

3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide (PubChem CID 42145534) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide
PubChem CID42145534
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCC2(c3ccccc3)CC2)cc(Cl)c1OC(C)C
InChIInChI=1S/C21H24ClNO3/c1-14(2)26-19-17(22)11-15(12-18(19)25-3)20(24)23-13-21(9-10-21)16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,23,24)
InChIKeyXUYPHPMVVSHLOS-UHFFFAOYSA-N
XLogP4.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 24614600
3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 42145585
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
CID 42265991
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 46462401
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
CID 24645296
3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide
CID 2960603
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213943
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
3-chloro-N-(5-chloro-2-pyridinyl)-5-methoxy-4-propan-2-yloxybenzamide
CID 34135778
3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51111712

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide (CID 42145534) is 3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide is COc1cc(C(=O)NCC2(c3ccccc3)CC2)cc(Cl)c1OC(C)C.
What is the InChIKey of 3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide?
The InChIKey is XUYPHPMVVSHLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-14(2)26-19-17(22)11-15(12-18(19)25-3)20(24)23-13-21(9-10-21)16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,23,24).
What are the key properties of 3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide?
3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide has a molecular weight of 373.88 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 42145534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).